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Oral Presentations European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 ORAL PRESENTATIONS Uppsala University, SWEDEN European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 Bridged Triarylphosphines as Versatile Platforms for the Construction of Polycyclic Heteroaromatic Compounds Milan Kivala,a,* Johannes Ascherl,a Tobias A. Schauba,b and Frank Hampela aDepartment of Chemistry and Pharmacy, University of Erlangen-Nürnberg. Erlangen. Germany. bDepartment of Chemistry and Biochemistry, University of Oregon. Eugene. Oregon. USA. [email protected] The incorporation of heteroatoms directly into the sp2-carbon skeleton of polycyclic aromatic hydrocarbons (PAHs) provides a powerful tool – next to variation of their size and periphery and/or lateral decoration with various substituents – to manipulate their optoelectronic properties and supramolecular behavior.1,2 This is particularly relevant in the context of organic electronics for which -conjugated organic materials finely tuned in terms of their photophysical, redox, and self-assembly properties are of high demand. Rather surprisingly, the field of phosphorus-containing PAHs is still in its infancy, although such compounds often show strikingly different properties from their nitrogen- containing counterparts such as the unique pyramidal geometry and the Lewis basicity of the phosphorus centre, providing for additional chemistry.3 We have recently identified various relatively simple bridged triarylphosphine derivatives as versatile building blocks for the construction of unprecedented phosphorus-containing PAHs.4 This contribution will address our respective synthetic efforts and the fundamental characteristics of the resulting compounds. Acknowledgement This work was supported by the Deutsche Forschungsgemeinschaft (DFG) as part of SFB 953 “Synthetic Carbon Allotropes” and the “Solar Technologies Go Hybrid” (SolTech) initiative of the Free State of Bavaria. References 1 P. O. Dral, M. Kivala, T. Clark, J. Org. Chem. 2013, 78, 1894–1902. 2 M. Stępień, E. Gońka, M. Żyła, N. Sprutta, Chem. Rev. 2017, 117, 3479–3716. 3 T. Baumgartner, Acc. Chem. Res. 2014, 47, 1613–1622. 4 a) T. A. Schaub, E. M. Zolnhofer, D. P. Halter, T. E. Shubina, F. Hampel, K. Meyer, M. Kivala, Angew. Chem. Int. Ed. 2016, 55, 13597–13601; b) T. A. Schaub, R. Sure, F. Hampel, S. Grimme, M. Kivala, Chem. Eur. J. 2017, 23, 5687–5691; c) T. A. Schaub, S. M. Brülls, P. O. Dral, F. Hampel, H. Maid, M. Kivala, Chem. Eur. J. 2017, 23, 6988–6992. Uppsala University, SWEDEN KL1 European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 Expanding the Net: Novel π-Extended Materials Based on Six- Membered Phosphorus Heterocycles C. Romero-Nieto* Organisch-Chemisches Institut, Heidelberg University. Heidelberg. Germany. [email protected] -Extended organic architectures are a fascinating class of compounds that plays a fundamental role in the materials science. The efficient overlap of atomic orbitals along an extended net of polyaromatic systems enables outstanding properties such as strong luminescence and high charge mobilities. An efficient strategy to modulate the latter optoelectronic properties consists in embedding heteroatoms into the carbon scaffold. To that end, phosphorus atoms are particular interesting; e.g. they present an electron lone pair that is readily available for a variety of reversible post-functionalization reactions. As a matter of fact, we recently reported novel phosphorus- containing phenalenes whose optoelectronic properties (emission color, fluorescence quantum yield up to 0.8 and ambipolar redox properties) could be efficiently modulated by phosphorus post- functionalization.1 In this communication, I will report the synthesis of a new generation of π-extended architectures based on six-membered phosphorus heterocycles.2 Furthermore, I will present a detailed investigation of their structural and optoelectronic properties. All in all, I will describe the benefits of embedding six-membered phosphorus heterocycles into π-extended polyaromatic hydrocarbons. The new materials overcome the performances of our previously reported phosphaphenalenes; they exhibit, among others, remarkable electron-accepting properties and fluorescence quantum yields of up to 0.85.2 References 1 a) C. Romero-Nieto, A. López-Andarias, C. Egler-Lucas, F. Gebert, J.-P. Neus, O. Pilgram, Angew. Chem. Int. Ed. 2015, 54, 15872-15875; b) P. Hindenberg, A. López-Andarias, F. Rominger, A. De Cózar, C. Romero- Nieto, Chem. Eur. J. 2017, 23, 13919-13928; c) O. Larranaga, C. Romero-Nieto, A. De Cózar, Chem. Eur. J. 2017, DOI: 10.1002/chem.201703495. 2 a) P. Hindenberg, M. Busch, A. Paul, M. Bernhardt, P. Gemessy, F. Rominger ,C. Romero-Nieto, Submitted. Uppsala University, SWEDEN KL2 European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 Lewis Adducts of the Parent Phosphine, PH3 A Crystallographic and Spectroscopic Study Matthew Baker, Mark Bispinghoff, and Hansjörg Grützmacher * Laboratory of Inorganic Chemistry, ETH Zürich. Vladimir-Prelog-Weg 1, 8093 Zürich. Switzerland. [email protected] 1 The first Lewis Adduct of phosphane, BCl3·PH3, was reported in 1890. Further reports have since discussed enthalpy of formation,2 vibration spectra,3 11B NMR spectra,4 and 1H NMR spectra.5 However, an overview of these adducts and their properties, including crystal structures and 31P NMR spectra, remains absent from the literature. The crystal structures and NMR spectra of compounds of the type EX3·PH3 (E = B, Al, Ga, In and X = Cl, Br, I) will be discussed in detail. 31 Figure 2 Structure of BI3·PH3 Figure 2 P spectrum of BI3·PH3 Acknowledgement The authors gratefully acknowledge ETH for their financial support. References 1 A. Besson, C. R. Acad. Sci., Paris, 1890, 110, 516-518 2 R. Höltje, Z. Anorg. Allg. Chem., 1933, 209, 241-248 3 a) P. A. Tierney, D. W. Lewis, D. Berg, J. Inorg. Nucl. Chem., 1962, 24, 1163-1169 b) J. E. Drake, J. L. Hencher, B. Rapp, J. Chem. Soc., Dalton Trans., 1974, 595-603 c) M. J. Taylor, S. Riethmiller, J. Raman Spect., 1974, 15, 370-376 4 J. D. Odom, S. Riethmiller, J. D. Witt, J. R. Durig, Inorg, Chem., 1973, 1123-1127 b) J. E. Drake, B. Rapp, J. Inorg. Nucl. Chem., 1974, 36, 2613-2615 5 J. E. Drake, J. Simpson, J. Chem. Soc. A., 1968, 974-979 Uppsala University, SWEDEN O1 European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 [P(µ-NBbp)]2 - a PN biradicaloid synthesized from an acyclic precursor Lilian Sophie Szych1, Ronald Wustrack1, Jonas Bresien1, Axel Schulz1,2, Alexander Villinger1 [email protected], [email protected] 1Institut für Chemie, Abteilung Anorganische Chemie, Universität Rostock, Albert-Einstein-Straße 3a, 18059 Rostock, Germany. 2Leibniz-Institut für Katalyse e.V. an der Universität Rostock, Albert-Einstein-Straße 29a, 18059 Rostock, Germany. Group 15 open shell singlet biradicaloids of the type [P(µ-NR)]2 show an interesting and diverse reaction behaviour, for example towards molecules bearing multiple bonds or when it comes to the activation of small molecules. They are usually synthesized by the reduction of chlorinated cycles of the type [ClP(µ-NR)]2. R is a sterically demanding substituent which ensures the kinetic stabilization of the reactive biradicaloid (Scheme 1).[1,2] Scheme 1. Top: Reduction of the Bbp stabilized derivatives, leading to the biradicaloid. Bottom: Molecular structures of A, B, C; orange: phosphorus; blue: nitrogen; green: chlorine. We are currently investigating the synthesis and reaction behaviour of a new biradicaloid, stabilized [3] with the Bbp substituent (2,6-bis[bis(trimethylsilyl)methyl]phenyl). Reducing the [ClP(µ-NR)]2 heterocycle using the “classical route”, we could indeed synthesize the desired biradical B. However, the reduction of the acyclic compound Bbp-N(PCl2)2 also leads to the biradicaliod, which represents a hitherto unknown route to this class of compounds. References [1] T. Beweries, R. Kuzora, U. Rosenthal, A. Schulz, A. Villinger, Angew. Chem. Int. Ed. 2011, 50, 8974–8978. [2] A. Hinz, R. Kuzora, A. Rölke, A. Schulz, A. Villinger, R. Wustrack, Eur. J. Inorg. Chem. 2016, 22, 3611–3619. [3] T. Agou, Y. Sugiyama, T. Sasamori, H. Sakai, Y. Furukawa, N. Takagi, J. Guo, S. Nagase, D. Hashizume, N. Tokitoh, J. Am. Chem. Soc. 2012, 134, 4120−4123. Uppsala University, SWEDEN O2 European Workshop on Phosphorus Chemistry - EWPC 15/2018 March 14-16 New synthetic approaches to novel acyclic- and cyclo-polyphosphanes Robin Schoemaker, Felix Hennersdorf, David Harting, Jan J. Weigand Chair of Inorganic Molecular Chemistry, Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, Germany. [email protected] The use of pyrazole-substituted phosphanes as P1-sources for the synthesis of neutral and cationic polyphosphorus frameworks represents an integral research field of our group.[1] The solvent dependent reaction of dipyrazolylphosphane 1 with dicyclohexylphosphane leads to the formation of polyphosphanes 2 and 3 (Scheme 1). Scheme 1: Synthesis of triphosphane 2 and pentaphospholane 3 from dipyrazolylphosphane 1. Thus, reacting 1 with dicyclohexylphosphane in acetonitrile in a 1 : 2 ratio leads to triphosphane 2 via a protolysis reaction, while the 1 : 1 reaction in diethyl ether gives pentaphospholane 3 via a P-N/P-P bond metathesis reaction.[1a] Triphosphane 2 reacts with an excess of methyl triflate quantitatively to triphosphane-1,3-diium salt 4[OTf]2 (Scheme 2). Scheme 2: Methylation of 2 and further reaction to give 5[OTf]2. Pentaphospholane 3 acts as a [Py-P] phosphinidene source to give in a subsequent reaction with [2] 4[OTf]2 the [PyP-PPy] inserted reaction product 5[OTf]2 (Scheme 2). The general and very versatile application of pyrazole-substituted phosphanes for the synthesis of novel polyphosphorus compounds is discussed. Acknowledgement We thank the European Research Council (ERC starting grand, SynPhos - 307616) for financial support. References 1 a) K.-O. Feldmann, J. J. Weigand, J. Am. Chem. Soc. 2012, 134, 15443−15456; b) K.-O. Feldmann, J. J. Weigand, Angew. Chem. Int. Ed. 2012, 51, 7545–7549; c) for a review on oligophosphorus chemistry see M.
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